{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.534 0.020965 0.929118 ] [ 0.528365 0.053683 0.424303 ] [ 0.954936 0.466129 0.558126 ] [ 0.995174 0.520365 0.065213 ] [ 0.269463 0.730227 0.157603 ] [ 0.721203 0.306377 0.283724 ] [ 0.847518 0.807942 0.745141 ] [ 0.761181 0.785219 0.262117 ] [ 0.235195 0.243291 0.35374 ] [ 0.508687 0.547801 0.749747 ] [ 0.279087 0.766624 0.388308 ] [ 0.253943 0.21375 0.879456 ] [ 0.764127 0.768119 0.994059 ] [ 0.2041 0.252218 0.112382 ] [ 0.739596 0.234084 0.677104 ] [ 0.234184 0.830593 0.915271 ] [ 0.782188 0.237518 0.00773 ] [ 0.704757 0.726641 0.499286 ] [ 0.227101 0.254293 0.622158 ] [ 0.207225 0.730384 0.644688 ] [ 0.490874 0.010109 0.171525 ] [ 0.994824 0.49195 0.815766 ] [ 0.970736 0.998979 0.49652 ] [ 0.506333 0.50077 0.99857 ] [ 0.481785 0.982815 0.683283 ] [ 0.007266 0.515893 0.319164 ] [ 0.163132 0.003268 0.426478 ] [ 0.79308 0.976343 0.409168 ] [ 0.500057 0.677523 0.912684 ] [ 0.511622 0.31718 0.918133 ] [ 0.698417 0.510766 0.074486 ] [ 0.323564 0.499426 0.07902 ] [ 0.965178 0.822693 0.583404 ] [ 0.959874 0.183239 0.574261 ] [ 0.300091 0.002769 0.058148 ] [ 0.70301 0.999809 0.081266 ] [ 0.475401 0.79525 0.607076 ] [ 0.483503 0.153562 0.594044 ] [ 0.810339 0.526467 0.387441 ] [ 0.170018 0.509475 0.419055 ] [ 0.988449 0.711298 0.896198 ] [ 0.013547 0.315096 0.930617 ] [ 0.664952 0.996317 0.766005 ] [ 0.302497 0.994187 0.768778 ] [ 0.473108 0.204103 0.273399 ] [ 0.476616 0.812943 0.271635 ] [ 0.198015 0.48178 0.714906 ] [ 0.791271 0.495832 0.712217 ] [ 0.011451 0.331666 0.239724 ] [ 0.026061 0.684872 0.230957 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ge" "Ge" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.99241559 "source-unit" "angstrom" } "b" { "source-value" 7.1582911 "source-unit" "angstrom" } "c" { "source-value" 10.72442847 "source-unit" "angstrom" } "alpha" { "source-value" 90.25687113 "source-unit" "degree" } "beta" { "source-value" 90.58668644 "source-unit" "degree" } "gamma" { "source-value" 90.17977164 "source-unit" "degree" } }